BzOCAsnPhe(CHOHCH2)ProIleNHiBu
TL;DR: BzOCAsnPhe(CHOHCH2)ProIleNHiBu (CAS 127749-93-3) is a chemical compound with molecular formula C37H54N6O7 and molecular weight 694.4054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-4-amino-1-[[(2S,3R)-3-hydroxy-4-[(2S)-2-[[(2S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Also Known As: BzOCAsnPhe(CHOHCH2)ProIleNHiBu, BzOCAsnPhe[CHOHCH2]ProIleNHiBu, Benzyloxycarbonyl-AsnPhe(hydroxyethyl)ProIsoleucine-isobutylamide, L-Isoleucinamide, 1-((2R,3S)-3-(((2S)-4-amino-1,4-dioxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-2-hydroxy-4-phenylbutyl)-L-prolyl-N-(2-methylpropyl)-, Benzyloxycarbonyl-AsnPhe[hydroxyethyl]ProIsoleucine-isobutylamide
Technical Specifications
| Molecular Formula | C37H54N6O7 |
| Molecular Weight | 694.4054 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 192.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 20 |
| Exact Mass | 694.4054 Da |
| Heavy Atoms | 50 |
| Complexity | 1090.0 |
| SMILES | CCC(C)[C@@H](C(=O)NCC(C)C)NC(=O)[C@@H]1CCCN1C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)OCC3=CC=CC=C3)O |
| InChIKey | HBUSMWQNIFQTTL-VVGPYJCKSA-N |
Chemical Property Profile of BzOCAsnPhe(CHOHCH2)ProIleNHiBu
Property Insights of BzOCAsnPhe(CHOHCH2)ProIleNHiBu
The XLogP value of 3.4 indicates that BzOCAsnPhe(CHOHCH2)ProIleNHiBu is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 192.0 Ų indicates high polarity, suggesting BzOCAsnPhe(CHOHCH2)ProIleNHiBu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, BzOCAsnPhe(CHOHCH2)ProIleNHiBu has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of BzOCAsnPhe(CHOHCH2)ProIleNHiBu?
The CAS number of BzOCAsnPhe(CHOHCH2)ProIleNHiBu is 127749-93-3.
What is the molecular formula of BzOCAsnPhe(CHOHCH2)ProIleNHiBu?
The molecular formula of BzOCAsnPhe(CHOHCH2)ProIleNHiBu is C37H54N6O7.
What is the molecular weight of BzOCAsnPhe(CHOHCH2)ProIleNHiBu?
The molecular weight of BzOCAsnPhe(CHOHCH2)ProIleNHiBu is 694.4054 g/mol.
Where can I buy BzOCAsnPhe(CHOHCH2)ProIleNHiBu?
You can request a quote for BzOCAsnPhe(CHOHCH2)ProIleNHiBu directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BzOCAsnPhe(CHOHCH2)ProIleNHiBu?
Yes, CoreyChem provides custom synthesis services for BzOCAsnPhe(CHOHCH2)ProIleNHiBu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.